SCHEMBL8619232

SCHEMBL8619232

CS(=O)(=O)N(CC(=O)O)C1(O)CCC(N2CCC(Nc3ccncc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
RORC P51449 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LTA4H P09960 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
CCR2 P41597 1/20 0.32
NAMPT P43490 1/20 0.32
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8303817 0.78 KDM4E (0.40) KDM4EKMT2AMEN1ALDH1A1ITGB3
SCHEMBL8619238 0.77 KDM4E (0.35) KDM4EKMT2AMEN1ALDH1A1ITGB3
SCHEMBL8301327 0.72 KDM4E (0.43) KDM4EKMT2AMEN1ALDH1A1ITGB3
SCHEMBL8613430 0.67 KDM4E (0.50) KDM4EKMT2AMEN1ALDH1A1HRH3
SCHEMBL13860480 0.65 MAPT (0.45) KDM4EKMT2AALDH1A1
SCHEMBL8615320 0.63 KDM2B (0.34) KDM4EKMT2AMEN1ALDH1A1ITGB3
SCHEMBL8300676 0.63 KDM4E (0.42) KDM4EKMT2AMEN1ALDH1A1ITGB3
SCHEMBL8300631 0.63 GRIN2B (0.40) KDM4EKMT2AMEN1ALDH1A1ITGB3
SCHEMBL1196914 0.62 NOS2 (0.65) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL8301361 0.61 CYP2D6 (0.39) KDM4EKMT2AMEN1ALDH1A1ITGB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed